AIMC Topic: Antiviral Agents
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Paternally Expressed Gene 10 Promoter Methylation Level as a Predictor of HBeAg Seroconversion in Chronic Hepatitis B Patients.
Journal of medical virology
Aug 1, 2025
The management of chronic hepatitis B (CHB) encounters challenges like suboptimal antiviral response and the lack of predictive biomarkers. In this study, the role of paternally expressed gene 10 (PEG10) in hepatitis B e antigen (HBeAg) seroconversio...
iAVP-RFVOT: Identify Antiviral Peptides by Random Forest Voting Machine Learning with Unified Manifold Learning Embedded Features.
Biochemistry
Jul 15, 2025
Viruses are transmitted through multiple routes and can cause a wide range of diseases. Antiviral peptides (AVPs) have emerged as a cost-effective and low-side-effect strategy for combating viral infections. However, identifying antiviral peptides ex...
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13.
Journal of chemical information and modeling
Jul 14, 2025
A critical assessment of computational hit-finding experiments (CACHE) challenge was conducted to predict ligands for the SARS-CoV-2 Nsp13 helicase RNA binding site, a highly conserved COVID-19 target. Twenty-three participating teams comprised of co...
A deep learning model for structure-based bioactivity optimization and its application in the bioactivity optimization of a SARS-CoV-2 main protease inhibitor.
European journal of medicinal chemistry
Jul 5, 2025
Bioactivity optimization is a crucial and technical task in the early stages of drug discovery, traditionally carried out through iterative substituent optimization, a process that is often both time-consuming and expensive. To address this challenge...
Drug repurposing targeting COVID-19 3CL protease using molecular docking and machine learning regression approaches.
Scientific reports
May 28, 2025
The COVID-19 pandemic has initiated a global health emergency, with an exigent need for an effective cure. Progressively, drug repurposing is emerging as a promising solution for saving time, cost, and labor. However, the number of drug candidates th...
Analysis of Multi-Target Synergistic Mechanism of Coix Seed Therapy for Herpes Zoster Based on Machine Learning and Network Pharmacology.
Genes
May 14, 2025
OBJECTIVE: To explore the efficacy and mechanism of Coix seeds in treating herpes zoster (HZ) using an integrated computational approach.
A deep learning and molecular modeling approach to repurposing Cangrelor as a potential inhibitor of Nipah virus.
Scientific reports
May 12, 2025
Deforestation, urbanization, and climate change have significantly increased the risk of zoonotic diseases. Nipah virus (NiV) of Paramyxoviridae family and Henipavirus genus is transmitted by Pteropus bats. Climate-induced changes in bat migration pa...
Machine learning assisted in Silico discovery and optimization of small molecule inhibitors targeting the Nipah virus glycoprotein.
Scientific reports
May 8, 2025
The Nipah virus (NiV), a lethal pathogen from the Paramyxoviridae family, presents a significant global health threat as a result of its high mortality rate and inter-human transmission. This investigation employed in silico methods that were assiste...
COVID-19 Patients Benefitting From Remdesivir for Improved Survival: A Neural Network-Based Approach.
Journal of medical virology
Mar 1, 2025
Conflicting results from randomized trials regarding the efficacy of remdesivir for COVID-19 have been reported. We aimed to develop a neural network (NN) to identify COVID-19 patients who would derive the greatest survival benefit from remdesivir. T...
iACVP-MR: Accurate Identification of Anti-coronavirus Peptide based on Multiple Features Information and Recurrent Neural Network.
Current medicinal chemistry
Jan 1, 2025
BACKGROUND: Over the years, viruses have caused human illness and threatened human health. Therefore, it is pressing to develop anti-coronavirus infection drugs with clear function, low cost, and high safety. Anti-coronavirus peptide (ACVP) is a key ...
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